List of works - Miguel Ángel Cabrera-Pérez

Markovian chemicals "in silico" design (MARCH-INSIDE), a promising approach for computer-aided molecular design I: discovery of anticancer compounds.

scientific article

A topological substructural approach for the prediction of P-glycoprotein substrates

scientific article published on 01 March 2006

In Silico Prediction of Caco-2 Cell Permeability by a Classification QSAR Approach

scientific article

TOPS-MODE based QSARs derived from heterogeneous series of compounds. Applications to the design of new herbicides

scientific article published on 01 July 2003

Provisional Classification and in Silico Study of Biopharmaceutical System Based on Caco-2 Cell Permeability and Dose Number

scientific article published on 15 May 2013

3D-MEDNEs: an alternative "in silico" technique for chemical research in toxicology. 1. prediction of chemically induced agranulocytosis

scientific article published on 01 October 2003

Quantitative structure-carcinogenicity relationship for detecting structural alerts in nitroso compounds: species, rat; sex, female; route of administration, gavage.

scientific article published on 23 February 2008

Exploring the conformational changes of the ATP binding site of gyrase B from Escherichia coli complexed with different established inhibitors by using molecular dynamics simulation: protein-ligand interactions in the light of the alanine scanning a

scientific article published on 17 December 2010

FDA-approved drugs selected using virtual screening bind specifically to G-quadruplex DNA.

scientific article

The Use of Rule-Based and QSPR Approaches in ADME Profiling: A Case Study on Caco-2 Permeability.

scientific article published on 15 May 2013

Molecular dynamics and docking simulations as a proof of high flexibility in E. coli FabH and its relevance for accurate inhibitor modeling

scientific article published on 23 April 2011

GA(M)E-QSAR: a novel, fully automatic genetic-algorithm-(meta)-ensembles approach for binary classification in ligand-based drug design.

scientific article published on 28 August 2012

Toward the computer-aided discovery of FabH inhibitors. Do predictive QSAR models ensure high quality virtual screening performance?

scientific article published on 27 March 2014

Computational modeling of human oral bioavailability: what will be next?

scientific article published on 17 April 2018

Prediction of telomerase inhibitory activity for acridinic derivatives based on chemical structure

scientific article published on 06 August 2009

Unified Markov thermodynamics based on stochastic forms to classify drugs considering molecular structure, partition system, and biological species: distribution of the antimicrobial G1 on rat tissues

scientific article published on 01 February 2005

Biowaiver or Bioequivalence: Ambiguity in Sildenafil Citrate BCS Classification

scientific article published on 12 March 2018

Combining molecular docking and QSAR studies for modelling the antigyrase activity of cyclothialidine derivatives

scientific article published on 05 April 2011

TOPS-MODE approach for the prediction of blood-brain barrier permeation

scientific article published on 01 July 2004

Integrating theoretical and experimental permeability estimations for provisional biopharmaceutical classification: Application to the WHO essential medicines

scientific article published on 01 July 2018

Exploring different strategies for imbalanced ADME data problem: case study on Caco-2 permeability modeling.

scientific article

A topological-substructural molecular design (TOPS-MODE) approach to determining pharmacokinetics and pharmacological properties of 6-fluoroquinolone derivatives.

scientific article published in September 2003

In silico prediction of central nervous system activity of compounds. Identification of potential pharmacophores by the TOPS-MODE approach

scientific article published on 01 November 2004

Policy of Multisource Drug Products in Latin America: Opportunities and Challenges on the Application of Bioequivalence In Vitro Assays

scientific article published on 29 June 2020

List of works by Miguel Ángel Cabrera-Pérez

Markovian chemicals "in silico" design (MARCH-INSIDE), a promising approach for computer-aided molecular design I: discovery of anticancer compounds.

A topological substructural approach for the prediction of P-glycoprotein substrates

In Silico Prediction of Caco-2 Cell Permeability by a Classification QSAR Approach

TOPS-MODE based QSARs derived from heterogeneous series of compounds. Applications to the design of new herbicides

Provisional Classification and in Silico Study of Biopharmaceutical System Based on Caco-2 Cell Permeability and Dose Number

3D-MEDNEs: an alternative "in silico" technique for chemical research in toxicology. 1. prediction of chemically induced agranulocytosis

Quantitative structure-carcinogenicity relationship for detecting structural alerts in nitroso compounds: species, rat; sex, female; route of administration, gavage.

Exploring the conformational changes of the ATP binding site of gyrase B from Escherichia coli complexed with different established inhibitors by using molecular dynamics simulation: protein-ligand interactions in the light of the alanine scanning a

FDA-approved drugs selected using virtual screening bind specifically to G-quadruplex DNA.

The Use of Rule-Based and QSPR Approaches in ADME Profiling: A Case Study on Caco-2 Permeability.

Molecular dynamics and docking simulations as a proof of high flexibility in E. coli FabH and its relevance for accurate inhibitor modeling

GA(M)E-QSAR: a novel, fully automatic genetic-algorithm-(meta)-ensembles approach for binary classification in ligand-based drug design.

Toward the computer-aided discovery of FabH inhibitors. Do predictive QSAR models ensure high quality virtual screening performance?

Computational modeling of human oral bioavailability: what will be next?

Prediction of telomerase inhibitory activity for acridinic derivatives based on chemical structure

Unified Markov thermodynamics based on stochastic forms to classify drugs considering molecular structure, partition system, and biological species: distribution of the antimicrobial G1 on rat tissues

Biowaiver or Bioequivalence: Ambiguity in Sildenafil Citrate BCS Classification

Combining molecular docking and QSAR studies for modelling the antigyrase activity of cyclothialidine derivatives

TOPS-MODE approach for the prediction of blood-brain barrier permeation

Integrating theoretical and experimental permeability estimations for provisional biopharmaceutical classification: Application to the WHO essential medicines

Exploring different strategies for imbalanced ADME data problem: case study on Caco-2 permeability modeling.

A topological-substructural molecular design (TOPS-MODE) approach to determining pharmacokinetics and pharmacological properties of 6-fluoroquinolone derivatives.

In silico prediction of central nervous system activity of compounds. Identification of potential pharmacophores by the TOPS-MODE approach

Policy of Multisource Drug Products in Latin America: Opportunities and Challenges on the Application of Bioequivalence In Vitro Assays